6893-02-3
Product Name:
3,3',5-Triiodo-L-thyronine
Formula:
C15H12I3NO4
Synonyms:
Liothyronine;Reverse T3;rT(3);T3;O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L -tyrosine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS |
| Boiling Point | 563 ºC at 760 mmHg |
| Melting Point | 230 ºC |
| Solubility | 11.4 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 3 |
| LogS | -5.22 |
| Optical Rotation | Optical rotation = +21.5 deg at 29.5 °C/D (c = 4.75 in a mixture of 1 part N hydrogen chloride + 2 parts ethanol). |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides, /hydrogen iodide/. |
| Dissociation Constants | 8.4 |
| Collision Cross Section | 209.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | DECOMPOSES @ 236-237 °C |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 650.97 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 650.7901 g/mol |
| Monoisotopic Mass | 650.7901 g/mol |
| Topological Polar Surface Area | 92.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 402 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,3',5-triiodo-L-thyronine is an iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. It has a role as a thyroid hormone, a human metabolite and a mouse metabolite. It is an iodophenol, a 2-halophenol and an iodothyronine. It is a conjugate acid of a 3,3',5-triiodo-L-thyroninate. It is a tautomer of a 3,3',5-triiodo-L-thyronine zwitterion.